2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[(4-methylphenyl)carbamoyl]propanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[(4-methylphenyl)carbamoyl]propanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(p-tolylcarbamoyl)propanamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-[(4-methylanilino)-oxomethyl]propanamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(4-methylphenyl)carbamoyl]propanamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(p-tolylcarbamoyl)propionamide Formula: C15H18N6O2S MolecularWeight: 346.40742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC(=O)C(C)SC2=NC(=CC(=N2)N)N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC(=O)C(C)SC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C15H18N6O2S/c1-8-3-5-10(6-4-8)18-14(23)21-13(22)9(2)24-15-19-11(16)7-12(17)20-15/h3-7,9H,1-2H3,(H4,16,17,19,20)(H2,18,21,22,23)